Geometry & MOs

Info

ID:	139984
PubChem CID:	52626468
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	428.132527
ΔH_f, kcal/mol:	30.06
Dipole, Da:	6.33
IP(EA), eV:	-8.23(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3aS,7aR)-1-(3-chlorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)N[C@H](C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations